SCHEMBL7944300

SCHEMBL7944300

CCC(N1CCCCC1)N1CCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.32
DPP7 Q9UHL4 1/20 0.30
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2C9 P11712 2/20 0.30
KCNA5 P22460 2/20 0.30
CYP2C19 P33261 2/20 0.30
KCNH2 Q12809 2/20 0.30
KCNE1 P15382 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL288088 0.97 FDPS (0.33) FDPSDPP7CYP1A2CYP3A4CYP2D6
SCHEMBL2563000 0.84 ALDH1A1 (0.37) HRH3ALDH1A1MAPT
SCHEMBL28226868 0.84 SIGMAR1 (0.36)
SCHEMBL9695357 0.82
SCHEMBL10880835 0.80 ALDH1A1 (0.38) ALDH1A1MAPT
SCHEMBL2673825 0.80 SLC6A2 (0.33) CYP2D6
SCHEMBL9669586 0.77 ACHE (0.32) HRH3ALDH1A1
SCHEMBL7330270 0.76 SLC6A3 (0.38) HRH3
SCHEMBL19334589 0.74 SLC6A4 (0.39) FDPSDPP7CYP1A2CYP3A4CYP2D6
SCHEMBL3309623 0.74 SLC6A4 (0.39) FDPSDPP7CYP1A2CYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262046-B1 Azetidinylpropylpiperidine derivatives, intermediates and use as tachykinin antagonists PFIZER INC. 2001-07-17 US disclosed
US-6262046-B1 Azetidinylpropylpiperidine derivatives, intermediates and use as tachykinin antagonists PFIZER INC. 2001-07-17 US disclosed
EP-1023285-A1 AZETIDINYLPROPYLPIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 2000-08-02 EP disclosed
WO-1999001451-A1 AZETIDINYLPROPYLPIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1999-01-14 WO disclosed